TY - JOUR
T1 - Interfacial tension in water/n-decane/naphthenic acid systems predicted by a combined COSMO-RS theory and pendant drop experimental study
AU - Olesen, Kristian B.
AU - Pedersen, Anne-Sofie Dahl
AU - Nikolajsen, Lasse V.
AU - Andersson, Martin P.
AU - Sølling, Theis Ivan
AU - Sauer, Stephan P. A.
AU - Mikkelsen, Kurt Valentin
PY - 2020/9/23
Y1 - 2020/9/23
N2 - The interfacial tension of systems containing water, n-decane, and model naphthenic acids were investigated using a predictive model based on COSMO-RS theory and experimental pendant drop measurements. Five naphthenic acid homologues that are considered to be representative of surfactants inherent to crude oil were dissolved in n-decane at equal concentrations. The interfacial tensions of the five systems at an acid concentration of 1.66 mol% relative to n-decane were experimentally determined to be 27-30 mN/m. The interfacial tensions of the five different acid-decane phases against water were also predicted using density functional theory (DFT) calculations and COSMO-RS theory. The accuracy of the predictions was very good as confirmed through pendant drop measurements of the interfacial tension. The mean-absolute deviation between experimental and predicted values was 2.6 mN/m thus demonstrating the high predictive power of COSMO-RS theory for calculating the interfacial tension at oil-water interfaces in the presence of surface-active compounds.
AB - The interfacial tension of systems containing water, n-decane, and model naphthenic acids were investigated using a predictive model based on COSMO-RS theory and experimental pendant drop measurements. Five naphthenic acid homologues that are considered to be representative of surfactants inherent to crude oil were dissolved in n-decane at equal concentrations. The interfacial tensions of the five systems at an acid concentration of 1.66 mol% relative to n-decane were experimentally determined to be 27-30 mN/m. The interfacial tensions of the five different acid-decane phases against water were also predicted using density functional theory (DFT) calculations and COSMO-RS theory. The accuracy of the predictions was very good as confirmed through pendant drop measurements of the interfacial tension. The mean-absolute deviation between experimental and predicted values was 2.6 mN/m thus demonstrating the high predictive power of COSMO-RS theory for calculating the interfacial tension at oil-water interfaces in the presence of surface-active compounds.
U2 - 10.1080/00268976.2020.1764645
DO - 10.1080/00268976.2020.1764645
M3 - Journal article
VL - 118
JO - Molecular Physics
JF - Molecular Physics
SN - 0026-8976
IS - 18
M1 - e1764645
ER -